SCHEMBL7679185

SCHEMBL7679185

C=CCN(CC=C)c1ncnc2c(-c3ccccc3)csc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
GRM1 Q13255 12/20 0.41
CYP1A2 P05177 2/20 0.40
CYP17A1 P05093 1/20 0.40
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7687996 0.78 MAPK1 (0.40) CYP1A2MAPK1LMNACYP3A4CYP2C19
SCHEMBL7687484 0.78 MAPK1 (0.56) PDPK1CYP1A2MAPK1LMNACYP3A4
SCHEMBL21823101 0.76 PDPK1 (0.46) PDPK1GRM1CYP1A2CYP17A1MAPK1
SCHEMBL7683165 0.75 MAPK1 (0.40) CYP1A2MAPK1LMNACYP3A4CYP2C19
SCHEMBL7682952 0.74 MAPK1 (0.39) CYP1A2MAPK1LMNACYP3A4CYP2C19
SCHEMBL7683918 0.73 MAPK1 (0.39) CYP1A2MAPK1LMNACYP3A4CYP2C19
SCHEMBL23580747 0.71 PDPK1 (0.53) PDPK1GRM1CYP1A2CYP17A1MAPK1
SCHEMBL31336899 0.71 PDPK1 (0.53) PDPK1GRM1CYP1A2CYP17A1MAPK1
SCHEMBL21823005 0.70 PDPK1 (0.51) PDPK1GRM1CYP1A2CYP17A1LMNA
SCHEMBL21823173 0.67 PDPK1 (0.48) PDPK1GRM1CYP1A2CYP17A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME FUJIREBIO INC. (FUJIREBIO KABUSHIKI KAISHA) (JP) 2001-07-05 US disclosed
EP-0899263-A2 Fused pyrimidine derivatives and medicaments thereof for a blood oxygen partial pressure amelioration Fujirebio Inc. (JP) 1999-03-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME CYP11B2, CYP11B1, OAT PDPK1 2693/4885GRM1 530/4885CYP1A2 1299/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.